input word = C00042179

Metabolite InformationStructural formula
Name 8-Acetylcaespitol
Formula C17H27Br2ClO3
Mw 472.00154824
CAS RN 73410-30-7
C_ID C00042179 ,
InChIKey PVGGMHHFCWKSQT-WSKTVYSJNA-N
InChICode InChI=1S/C17H27Br2ClO3/c1-10(21)22-14-9-12(18)15(2,3)23-17(14,5)11-6-7-16(4,20)13(19)8-11/h11-14H,6-9H2,1-5H3/t11-,12+,13-,14+,16-,17+/m0/s1
SMILES CC(=O)O[C@@H]1C[C@@H](Br)C(C)(C)O[C@]1(C)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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OrganismAplysia dactylomela
ReferenceDias,J.Nat.Prod.,68,(2005),1677